ethyl 5-(2,3-dihydro-1H-1,2,3,4-tetrazol-5-ylcarbonylimino)-3-methyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: ethyl 5-(2,3-dihydro-1H-1,2,3,4-tetrazol-5-ylcarbonylimino)-3-methyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: ethyl 5-(2,3-dihydro-1H-tetrazole-5-carbonylimino)-3-methyl-6-oxo-cyclohexa-1,3-diene-1-carboxylate CAS Name: 5-[2,3-dihydro-1H-tetrazol-5-yl(oxo)methyl]imino-3-methyl-6-oxo-1-cyclohexa-1,3-dienecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,3-dihydro-1H-tetrazole-5-carbonylimino)-3-methyl-6-oxocyclohexa-1,3-diene-1-carboxylate Traditional Name: 5-(2,3-dihydro-1H-tetrazole-5-carbonylimino)-6-keto-3-methyl-cyclohexa-1,3-diene-1-carboxylic acid ethyl ester Formula: C12H13N5O4 MolecularWeight: 291.26272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=NC(=O)C2=NNNN2)C1=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=NC(=O)C2=NNNN2)C1=O)C

InChI

InChI=1S/C12H13N5O4/c1-3-21-12(20)7-4-6(2)5-8(9(7)18)13-11(19)10-14-16-17-15-10/h4-5,16-17H,3H2,1-2H3,(H,14,15)